Mjj8RH7Z3D

Base Information

• Chemical Name: Mjj8RH7Z3D
• CAS No.: 193752-41-9
• Molecular Formula: C₄₃H₆₄FN₅O₁₀
• Molecular Weight: 830.007
• UNII: MJJ8RH7Z3D
• Nikkaji Number: J1.387.569C
• ChEMBL ID: CHEMBL305165
• Mol file: 193752-41-9.mol

Synonyms:HMR 3562;HMR3562

Chemical Property of Mjj8RH7Z3D

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 829.46372142
• Heavy Atom Count: 59
• Complexity: 1490

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C
• Isomeric SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C

Technology Process of Mjj8RH7Z3D

There total 9 articles about Mjj8RH7Z3D which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

10-(4-dimethylamino-6-methyl-3-trimethylsilanyloxy-tetrahydro-pyran-2-yloxy)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-[4-(4-pyridin-3-yl-imidazol-1-yl)-butyl]-octahydro-3,5-dioxa-1-aza-cyclopentacyclotetradecene-2,6,8,14-tetraone → HMR 3562 (193752-41-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

DOI:10.1016/S0960-894X(00)00392-9

Reference yield:

telithromycin (191114-48-4) → HMR 3562 (193752-41-9)

Guidance literature:

Multi-step reaction with 3 steps

1: imidazole / tetrahydrofuran

2: t-BuOK; N-fluorosulfonimide / tetrahydrofuran / -10 °C

3: Bu₄NF / tetrahydrofuran

With 1H-imidazole; N-fluorosulfonimide; potassium tert-butylate; tetrabutyl ammonium fluoride; In tetrahydrofuran; 1: Silylation / 2: Fluorination / 3: Desilylation;

DOI:10.1016/S0960-894X(00)00392-9

Reference yield:

11-deoxy-10,11-didehydro-3-de[(2,6-dideoxy-3C-methyl-3O-methyl-α-L-ribohexopyranosyl)oxy]-6O-methyl-3-oxoerythromycin (153954-86-0) → HMR 3562 (193752-41-9)

Guidance literature:

Multi-step reaction with 6 steps

1: imidazole / tetrahydrofuran

2: t-BuOK; N-fluorosulfonimide / tetrahydrofuran / -10 °C

3: Bu₄NF / tetrahydrofuran

4: CH₂Cl₂

5: DBU / tetrahydrofuran / 20 °C

6: MeOH

With 1H-imidazole; methanol; N-fluorosulfonimide; potassium tert-butylate; tetrabutyl ammonium fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; dichloromethane; 1: Silylation / 2: Fluorination / 3: Desilylation / 4: Acetylation / 5: Addition; Condensation / 6: Deacetylation;

DOI:10.1016/S0960-894X(00)00392-9

upstream raw materials:

C₄₅H₆₆FN₅O₁₁

telithromycin

11-deoxy-10,11-didehydro-3-de[(2,6-dideoxy-3C-methyl-3O-methyl-α-L-ribohexopyranosyl)oxy]-6O-methyl-3-oxoerythromycin

11-deoxy-10,11-didehydro-3-de[(2,6-dideoxy-3C-methyl-3O-methyl-α-L-ribohexopyranosyl)oxy]-6O-methyl-3-oxoerythromycin-2α-fluoro

Refernces